CHEBI:129929 - (6S,7R,8R)-N-(2,5-difluorophenyl)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

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ChEBI Name (6S,7R,8R)-N-(2,5-difluorophenyl)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:129929
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H27F2N3O3
Net Charge 0
Average Mass 467.509
Monoisotopic Mass 467.20205
InChI InChI=1S/C26H27F2N3O3/c1-16(2)4-3-5-17-6-8-18(9-7-17)25-22-13-30(14-24(33)31(22)23(25)15-32)26(34)29-21-12-19(27)10-11-20(21)28/h6-12,16,22-23,25,32H,4,13-15H2,1-2H3,(H,29,34)/t22-,23+,25-/m1/s1
InChIKey TZMUHRKRDKHYRQ-GIFXNVAJSA-N
SMILES CC(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4=C(C=CC(=C4)F)F
ChEBI Ontology
Outgoing (6S,7R,8R)-N-(2,5-difluorophenyl)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129929) is a azetidines (CHEBI:38777)
(6S,7R,8R)-N-(2,5-difluorophenyl)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129929) is a benzenes (CHEBI:22712)
(6S,7R,8R)-N-(2,5-difluorophenyl)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129929) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41480 LINCS
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